| Properties | Image | Occurences in reactions |
MNX_ID | MNXM59718 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C21H38N4O9 |
charge | 0 |
mass | 490.26388 |
reference | keggD:D09547 |
InChIKey | IBFFAVWCRFPPNZ-QZAMVOJNSA-N |
InChI | InChI=1S/C21H36N4O8.H2O/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30;/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25);1H2/t13-,14+,17+,18+,19+;/m0./s1 |
SMILES | CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O.O |
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